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CHEBI:176148 - Epicatechin 3-O-(4-methylgallate)

ChEBI IDCHEBI:176148
ChEBI NameEpicatechin 3-O-(4-methylgallate)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O10
Net Charge0
Average Mass456.403
Monoisotopic Mass456.10565
SMILESCOc1c(O)cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)cc1O
InChIInChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3/t20-,21-/m1/s1
InChIKeyBXDRTHBTGNNTEW-NHCUHLMSSA-N
ChEBI Ontology
Outgoing Relation(s)
Epicatechin 3-O-(4-methylgallate) (CHEBI:176148) is a catechin (CHEBI:23053)
IUPAC Name 
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,5-dihydroxy-4-methoxybenzoate
Manual XrefsDatabases
LMPK12020094LIPID MAPS
410662ChemSpider
HMDB0039328HMDB